ChemSpider 2D Image | 3-(2,6-Dichlorophenyl)-N-{3-[4-isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-5-methyl-1,2-oxazole-4-carboxamide | C21H25Cl2N5O2S

3-(2,6-Dichlorophenyl)-N-{3-[4-isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-5-methyl-1,2-oxazole-4-carboxamide

  • Molecular FormulaC21H25Cl2N5O2S
  • Average mass482.427 Da
  • Monoisotopic mass481.110596 Da
  • ChemSpider ID31598817

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

3-(2,6-Dichlorophenyl)-N-{3-[4-isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-5-methyl-1,2-oxazole-4-carboxamide [ACD/IUPAC Name]
3-(2,6-Dichlorophényl)-N-{3-[4-isobutyl-5-(méthylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-5-méthyl-1,2-oxazole-4-carboxamide [French] [ACD/IUPAC Name]
3-(2,6-Dichlorphenyl)-N-{3-[4-isobutyl-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]propyl}-5-methyl-1,2-oxazol-4-carboxamid [German] [ACD/IUPAC Name]
4-Isoxazolecarboxamide, 3-(2,6-dichlorophenyl)-5-methyl-N-[3-[4-(2-methylpropyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl]propyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.647
Molar Refractivity: 126.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 4.66
ACD/BCF (pH 5.5): 2036.17
ACD/KOC (pH 5.5): 8126.56
ACD/LogD (pH 7.4): 4.66
ACD/BCF (pH 7.4): 2038.42
ACD/KOC (pH 7.4): 8135.56
Polar Surface Area: 111 Å2
Polarizability: 50.1±0.5 10-24cm3
Surface Tension: 48.0±7.0 dyne/cm
Molar Volume: 347.9±7.0 cm3

Click to predict properties on the Chemicalize site


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